Molecular simulation

Abstract

This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.

abstract = "This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.",

author = "Jeffrey Potoff and Ioannis Economou",

year = "2019",

month = jan

day = "1",

doi = "10.1016/j.fluid.2019.05.027",

language = "English",

journal = "Fluid Phase Equilibria",

issn = "0378-3812",

publisher = "Elsevier",

}

TY - JOUR

T1 - Molecular simulation

AU - Potoff, Jeffrey

AU - Economou, Ioannis

PY - 2019/1/1

Y1 - 2019/1/1

N2 - This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.

AB - This special topic issue highlights recent developments in the use of molecular simulation for the accurate prediction of phase equilibria and physical properties. The contributions cover a wide range of topics, including force fields, sampling algorithms, and data analysis methods.